Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)
CAS Registry Number®
353754-92-4
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CAS Name
Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)Molecular Formula
C19H35N5O5S3.C2HF3O2Cite this Page
Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=353754-92-4 (retrieved ) (CAS RN: 353754-92-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H35N5O5S3.C2HF3O2/c1-32(28,29)31-11-10-22-18(26)13(20)6-4-5-9-21-16(25)8-3-2-7-15-17-14(12-30-15)23-19(27)24-17;3-2(4,5)1(6)7/h13-15,17H,2-12,20H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27);(H,6,7)/t13-,14-,15-,17-;/m0./s1
InChIKey
InChIKey=SAYKPNMEZYSGFN-AGOFZYAISA-N
SMILES
C(CCCC(NCCCC[C@@H](C(NCCSS(C)(=O)=O)=O)N)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H].C(C(O)=O)(F)(F)F
Canonical SMILES
O=C1NC2CSC(CCCCC(=O)NCCCCC(N)C(=O)NCCSS(=O)(=O)C)C2N1.O=C(O)C(F)(F)F
Other Names for this Substance
- Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, 2,2,2-trifluoroacetate (1:1)
- Methanesulfonothioic acid, S-[2-[[(2S)-2-amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester, mono(trifluoroacetate)
